Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 17/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5774976 | 0.84 | PDE5A (0.51) | PDE5AADORA3KCNH2 | |
| SCHEMBL18496415 | 0.81 | PDE5A (0.59) | PDE5AADORA3KCNH2 | |
| SCHEMBL5776740 | 0.80 | ADORA3 (0.51) | PDE5AADORA3KCNH2 | |
| SCHEMBL5775370 | 0.79 | PDE5A (0.56) | PDE5AADORA3KCNH2 | |
| SCHEMBL5779496 | 0.79 | PDE5A (0.53) | PDE5AADORA3KCNH2 | |
| SCHEMBL5774181 | 0.76 | PDE5A (0.54) | PDE5AADORA3KCNH2 | |
| SCHEMBL2365288 | 0.76 | PDE5A (0.50) | PDE5AADORA3KCNH2 | |
| SCHEMBL174870 | 0.74 | PDE5A (0.58) | PDE5AADORA3KCNH2 | |
| SCHEMBL5777076 | 0.74 | PDE5A (0.48) | PDE5AADORA3KCNH2 | |
| SCHEMBL5777371 | 0.74 | PDE5A (0.48) | PDE5AADORA3KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7091198-B1 | 2,5-disubstituted pyrimidine derivatives | BAYER HEALTHCARE AG (DE) | 2006-08-15 | — | — | US | disclosed |
| US-20060167016-A1 | 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2006-07-27 | — | — | US | disclosed |
| EP-1525202-B1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2006-01-11 | — | — | EP | disclosed |
| EP-1525202-A1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | Bayer HealthCare AG (DE) | 2005-04-27 | — | — | EP | disclosed |
| WO-2004009589-A1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2004-01-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060167016-A1 | 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | PDE7A, P2RY2, CGAS | NPC1 1740/4885NFKB1 663/4885RAB9A 3708/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.